==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 18-JUL-11 3SZD . COMPND 2 MOLECULE: PORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.VAN DEN BERG,E.EREN . 739 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 443 59.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 76 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 1 0 0 2 0 4 7 7 4 3 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 7 B Q 0 0 164 0, 0.0 2,-0.2 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 142.6 -5.9 35.3 -17.5 2 8 B G > - 0 0 5 1,-0.1 4,-2.0 42,-0.1 42,-0.3 -0.824 360.0 -62.6 146.4 170.7 -7.5 36.7 -14.4 3 9 B F T 4 S+ 0 0 63 -2,-0.2 39,-2.9 39,-0.2 -1,-0.1 0.917 132.5 27.9 -53.6 -53.1 -8.8 35.7 -10.9 4 10 B L T >4 S+ 0 0 127 37,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.924 117.3 57.6 -73.8 -49.6 -11.6 33.4 -12.3 5 11 B E T 34 S+ 0 0 134 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.767 115.4 35.5 -55.8 -33.9 -10.0 32.3 -15.6 6 12 B D T 3< S+ 0 0 74 -4,-2.0 -1,-0.3 37,-0.1 -2,-0.2 0.296 91.3 120.8-105.8 7.5 -6.9 30.8 -14.0 7 13 B A < - 0 0 21 -3,-1.4 2,-0.3 -5,-0.1 34,-0.3 -0.442 41.8-168.1 -69.7 145.0 -8.6 29.5 -10.9 8 14 B K E +A 40 0A 81 32,-3.7 32,-4.8 -2,-0.1 2,-0.3 -0.994 8.9 176.5-131.5 144.1 -8.4 25.8 -10.2 9 15 B A E -A 39 0A 12 -2,-0.3 362,-1.7 30,-0.3 363,-1.2 -0.980 3.2-179.0-144.9 133.8 -10.4 23.6 -7.7 10 16 B S E -AB 38 370A 34 28,-2.0 28,-2.9 -2,-0.3 2,-0.5 -0.959 14.9-153.5-124.3 148.9 -10.4 19.9 -7.1 11 17 B L E -AB 37 369A 65 358,-2.9 358,-3.0 -2,-0.4 2,-0.5 -0.982 20.1-167.4-119.6 115.6 -12.4 18.0 -4.6 12 18 B T E -AB 36 368A 32 24,-2.7 24,-2.6 -2,-0.5 2,-0.5 -0.893 12.3-156.5-110.1 132.3 -10.7 14.8 -3.6 13 19 B A E -AB 35 367A 29 354,-2.7 354,-2.5 -2,-0.5 2,-0.5 -0.944 15.5-173.5-105.4 123.1 -12.2 11.9 -1.7 14 20 B R E -AB 34 366A 33 20,-1.0 20,-2.6 -2,-0.5 2,-0.6 -0.959 10.6-163.2-125.6 117.5 -9.6 9.8 0.1 15 21 B N E -AB 33 365A 32 350,-3.4 350,-2.4 -2,-0.5 2,-0.5 -0.902 11.3-167.9-103.6 123.9 -10.5 6.5 1.9 16 22 B F E +AB 32 364A 0 16,-2.7 16,-3.1 -2,-0.6 2,-0.4 -0.943 9.7 174.9-124.2 110.8 -7.8 5.4 4.3 17 23 B H E -AB 31 363A 31 346,-2.3 346,-2.7 -2,-0.5 2,-0.4 -0.973 4.6-178.5-121.2 125.6 -7.7 1.9 5.8 18 24 B L E -AB 30 362A 8 12,-3.1 12,-1.2 -2,-0.4 2,-0.4 -0.971 8.6-179.0-132.3 117.3 -4.9 0.7 8.1 19 25 B H E -AB 29 361A 87 342,-2.2 342,-2.1 -2,-0.4 2,-0.4 -0.928 9.7-178.7-107.9 141.0 -4.4 -2.7 9.7 20 26 B R E -AB 28 360A 44 8,-2.3 8,-2.5 -2,-0.4 2,-0.5 -0.928 13.1-165.9-145.0 115.1 -1.3 -3.3 11.9 21 27 B N E -AB 27 359A 72 338,-2.5 338,-2.7 -2,-0.4 6,-0.2 -0.898 21.3-141.4 -98.5 125.3 -0.3 -6.5 13.7 22 28 B F E - B 0 358A 56 4,-2.2 2,-0.5 -2,-0.5 336,-0.3 -0.463 4.6-134.2 -84.1 153.7 2.5 -6.0 16.3 23 29 B V 0 0 35 334,-2.8 334,-0.3 1,-0.2 332,-0.2 -0.947 360.0 360.0-109.2 125.2 5.3 -8.4 17.0 24 30 B G 0 0 118 -2,-0.5 -1,-0.2 330,-0.1 331,-0.2 0.883 360.0 360.0 53.7 360.0 6.1 -9.2 20.7 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 35 B G 0 0 98 0, 0.0 -4,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -93.4 -1.9 -7.1 19.8 27 36 B K E -A 21 0A 154 -6,-0.2 2,-0.3 331,-0.0 -6,-0.2 -0.998 360.0-149.0-165.8 151.1 -3.1 -5.1 16.9 28 37 B A E -A 20 0A 44 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.3 -0.890 7.9-170.0-127.3 158.1 -4.5 -1.7 15.7 29 38 B E E +A 19 0A 82 -2,-0.3 36,-0.4 -10,-0.2 35,-0.4 -0.955 5.5 178.4-141.9 162.2 -6.9 -0.4 13.0 30 39 B E E +A 18 0A 27 -12,-1.2 -12,-3.1 -2,-0.3 2,-0.4 -0.874 1.2 178.7-168.0 130.1 -7.9 2.9 11.6 31 40 B W E +A 17 0A 86 33,-2.7 31,-3.1 -2,-0.3 32,-0.9 -0.935 11.2 173.1-146.7 109.6 -10.3 3.7 8.8 32 41 B T E -AC 16 61A 6 -16,-3.1 -16,-2.7 -2,-0.4 2,-0.5 -0.878 24.6-151.8-126.0 150.9 -11.1 7.2 7.7 33 42 B Q E -AC 15 60A 41 27,-2.4 27,-2.3 -2,-0.3 2,-0.2 -0.992 28.3-177.6-117.4 123.9 -13.0 8.9 4.9 34 43 B S E -AC 14 59A 0 -20,-2.6 -20,-1.0 -2,-0.5 2,-0.3 -0.704 21.4-156.1-117.3 168.7 -11.7 12.3 4.0 35 44 B F E -AC 13 58A 76 23,-2.1 23,-1.7 -2,-0.2 2,-0.6 -0.951 8.6-169.5-143.5 119.8 -12.6 15.2 1.7 36 45 B I E -AC 12 57A 14 -24,-2.6 -24,-2.7 -2,-0.3 2,-0.7 -0.963 4.6-163.3-112.6 114.6 -9.9 17.7 0.6 37 46 B L E -AC 11 56A 57 19,-3.6 19,-2.1 -2,-0.6 2,-0.6 -0.890 9.5-177.1 -94.3 119.7 -11.2 20.8 -1.2 38 47 B D E +AC 10 55A 43 -28,-2.9 -28,-2.0 -2,-0.7 2,-0.6 -0.862 8.6 169.0-121.0 94.3 -8.2 22.4 -3.0 39 48 B A E -AC 9 54A 26 15,-2.7 15,-2.9 -2,-0.6 2,-0.6 -0.914 8.3-177.9-113.5 116.2 -9.3 25.6 -4.7 40 49 B R E -AC 8 53A 106 -32,-4.8 -32,-3.7 -2,-0.6 13,-0.2 -0.924 12.3-151.0-118.8 116.6 -6.7 28.0 -6.1 41 50 B S - 0 0 12 11,-2.8 -37,-0.2 -2,-0.6 -38,-0.1 -0.242 17.2-120.1 -69.8 162.3 -7.7 31.3 -7.8 42 51 B G - 0 0 6 -39,-2.9 2,-0.5 -40,-0.2 10,-0.3 -0.249 39.7 -86.3 -83.7-175.4 -5.7 33.0 -10.5 43 52 B F - 0 0 33 -41,-0.2 8,-0.2 8,-0.1 3,-0.1 -0.839 37.3-114.5 -96.1 133.1 -4.3 36.5 -10.1 44 53 B T - 0 0 52 6,-2.1 36,-0.1 -2,-0.5 -42,-0.1 -0.416 46.9-101.4 -53.0 136.8 -6.3 39.6 -10.9 45 54 B Q S S+ 0 0 121 -44,-0.2 2,-0.3 4,-0.1 3,-0.2 -0.336 76.7 55.7 -69.5 144.5 -4.7 41.3 -13.9 46 55 B G S S- 0 0 64 1,-0.1 3,-0.2 -3,-0.1 -3,-0.0 -0.805 98.7 -43.8 133.8-168.6 -2.5 44.3 -13.4 47 56 B S S S+ 0 0 116 -2,-0.3 2,-0.6 1,-0.2 35,-0.4 0.875 130.2 32.1 -67.6 -43.0 0.6 45.6 -11.7 48 57 B V S S- 0 0 91 -3,-0.2 2,-0.4 33,-0.1 -1,-0.2 -0.961 84.7-157.8-114.1 110.5 -0.2 44.1 -8.3 49 58 B G E - D 0 80A 4 31,-2.9 31,-3.4 -2,-0.6 2,-0.4 -0.759 3.6-155.9 -92.5 131.1 -2.1 40.9 -8.8 50 59 B F E + D 0 79A 91 -2,-0.4 -6,-2.1 29,-0.2 2,-0.3 -0.872 18.1 164.3-111.6 141.6 -4.4 39.5 -6.0 51 60 B G E - D 0 78A 0 27,-2.9 27,-2.2 -2,-0.4 2,-0.3 -0.847 21.9-142.3-144.6 178.4 -5.4 35.9 -5.4 52 61 B L E - D 0 77A 61 -10,-0.3 -11,-2.8 -2,-0.3 2,-0.4 -0.996 5.1-164.4-151.5 136.3 -6.9 33.5 -3.0 53 62 B D E -CD 40 76A 13 23,-2.8 23,-2.6 -2,-0.3 2,-0.4 -0.988 8.2-167.4-125.0 134.9 -6.3 29.8 -2.1 54 63 B V E -CD 39 75A 33 -15,-2.9 -15,-2.7 -2,-0.4 2,-0.5 -0.980 9.3-171.9-126.1 136.1 -8.7 27.7 -0.0 55 64 B L E -CD 38 74A 14 19,-3.2 19,-2.5 -2,-0.4 2,-0.7 -0.914 8.5-169.3-124.7 98.0 -8.1 24.2 1.5 56 65 B G E -CD 37 73A 14 -19,-2.1 -19,-3.6 -2,-0.5 2,-0.4 -0.840 11.3-173.9 -92.9 115.8 -11.3 22.7 2.9 57 66 B L E +CD 36 72A 13 15,-3.4 15,-2.2 -2,-0.7 2,-0.3 -0.933 12.7 159.5-115.7 135.0 -10.4 19.7 5.0 58 67 B Y E +CD 35 71A 97 -23,-1.7 -23,-2.1 -2,-0.4 2,-0.3 -0.944 8.0 177.3-153.2 132.6 -12.8 17.2 6.6 59 68 B S E -CD 34 70A 2 11,-3.2 11,-2.4 -2,-0.3 2,-0.4 -0.986 6.9-166.8-136.5 145.2 -12.3 13.7 7.8 60 69 B L E -CD 33 69A 47 -27,-2.3 -27,-2.4 -2,-0.3 9,-0.3 -0.991 24.8-118.0-132.7 139.3 -14.7 11.3 9.5 61 70 B K E -C 32 0A 75 7,-2.8 -29,-0.2 -2,-0.4 4,-0.2 -0.554 20.4-176.5 -79.6 136.6 -13.9 8.0 11.3 62 71 B L S S- 0 0 72 -31,-3.1 -30,-0.2 2,-0.8 -1,-0.1 0.482 78.8 -43.5-100.4 -12.7 -15.4 4.8 9.9 63 72 B D S S+ 0 0 104 1,-1.3 -33,-0.2 -32,-0.9 2,-0.2 0.762 124.9 21.4 101.1 101.1 -13.8 3.0 12.9 64 73 B G 0 0 14 -35,-0.4 -33,-2.7 -33,-0.1 -1,-1.3 0.368 360.0 360.0 -98.7-145.4 -11.2 3.4 13.7 65 74 B G 0 0 55 -36,-0.4 -33,-0.1 -35,-0.3 3,-0.1 -0.623 360.0 360.0 177.8 360.0 -9.3 6.6 13.0 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 92 B A 0 0 125 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 119.6 -13.4 11.9 18.2 68 93 B D - 0 0 123 1,-0.1 -7,-2.8 -8,-0.1 2,-0.3 0.599 360.0 -20.8 -70.0 -26.2 -15.8 11.1 15.3 69 94 B D E -D 60 0A 69 -9,-0.3 2,-0.3 -37,-0.0 -9,-0.2 -0.968 53.4-160.5-172.8 174.9 -14.4 13.6 12.8 70 95 B F E +D 59 0A 44 -11,-2.4 -11,-3.2 -2,-0.3 2,-0.3 -0.926 15.2 156.3-174.6 154.5 -12.3 16.7 12.3 71 96 B G E -D 58 0A 27 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.972 15.7-157.6-174.5 173.0 -11.7 19.4 9.7 72 97 B R E -D 57 0A 74 -15,-2.2 -15,-3.4 -2,-0.3 2,-0.6 -0.974 20.6-131.3-162.6 153.2 -10.6 22.9 9.0 73 98 B L E -D 56 0A 113 -2,-0.3 2,-0.5 -17,-0.2 -17,-0.2 -0.844 27.6-166.1-117.0 92.0 -11.0 25.6 6.4 74 99 B A E -D 55 0A 1 -19,-2.5 -19,-3.2 -2,-0.6 2,-0.4 -0.675 8.1-175.5 -81.0 123.5 -7.5 26.9 5.6 75 100 B V E -D 54 0A 65 -2,-0.5 15,-2.2 -21,-0.2 2,-0.4 -0.970 6.5-178.1-120.1 136.4 -7.5 30.2 3.7 76 101 B A E -DE 53 89A 1 -23,-2.6 -23,-2.8 -2,-0.4 13,-0.3 -1.000 14.3-147.3-131.9 136.4 -4.5 32.0 2.3 77 102 B G E -DE 52 88A 17 11,-3.2 11,-1.9 -2,-0.4 2,-0.4 -0.632 18.7-161.5 -91.7 156.2 -4.4 35.3 0.5 78 103 B K E -DE 51 87A 22 -27,-2.2 -27,-2.9 -2,-0.2 2,-0.4 -0.990 13.1-163.4-147.4 140.8 -1.8 36.0 -2.2 79 104 B L E -DE 50 86A 70 7,-3.0 7,-1.9 -2,-0.4 2,-0.5 -0.953 7.7-158.2-119.9 136.8 -0.2 39.0 -4.0 80 105 B R E +DE 49 85A 76 -31,-3.4 -31,-2.9 -2,-0.4 2,-0.4 -0.961 13.5 172.6-113.2 128.6 1.8 38.9 -7.3 81 106 B V E > - E 0 84A 77 3,-1.8 3,-1.4 -2,-0.5 2,-0.4 -0.884 69.1 -51.1-131.7 105.9 4.3 41.6 -8.3 82 107 B S T 3 S- 0 0 65 -35,-0.4 -33,-0.1 -2,-0.4 37,-0.0 -0.592 121.5 -23.7 66.7-121.8 6.4 40.8 -11.4 83 108 B N T 3 S+ 0 0 75 -2,-0.4 35,-1.0 -3,-0.1 2,-0.3 0.077 122.0 89.8-106.1 23.5 7.8 37.3 -10.6 84 109 B S E < -EF 81 117A 21 -3,-1.4 -3,-1.8 33,-0.2 2,-0.4 -0.789 57.0-159.0-115.2 160.3 7.6 37.5 -6.9 85 110 B E E -EF 80 116A 70 31,-2.5 31,-2.8 -2,-0.3 2,-0.4 -0.981 11.8-160.3-146.4 131.7 4.8 36.5 -4.5 86 111 B L E -EF 79 115A 86 -7,-1.9 -7,-3.0 -2,-0.4 2,-0.4 -0.910 17.7-175.2-101.6 133.5 3.6 37.4 -1.0 87 112 B K E -EF 78 114A 41 27,-2.1 27,-1.7 -2,-0.4 2,-0.4 -0.983 2.1-178.7-135.4 126.3 1.3 34.8 0.6 88 113 B I E +EF 77 113A 116 -11,-1.9 -11,-3.2 -2,-0.4 2,-0.4 -0.970 42.7 34.7-130.3 139.3 -0.4 35.2 4.0 89 114 B G E S-EF 76 112A 22 23,-2.2 23,-2.9 -2,-0.4 2,-0.4 -0.995 96.3 -30.5 130.4-130.3 -2.7 33.0 6.1 90 115 B E E + F 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